N-(2-benzyl-5-methylpyrazol-3-yl)-2-(3-chlorophenoxy)propanamide

C20H20ClN3O2 — CID 45154155

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)-2-(3-chlorophenoxy)propanamide
SMILESCc1cc(NC(=O)C(C)Oc2cccc(Cl)c2)n(Cc2ccccc2)n1
InChIInChI=1S/C20H20ClN3O2/c1-14-11-19(24(23-14)13-16-7-4-3-5-8-16)22-20(25)15(2)26-18-10-6-9-17(21)12-18/h3-12,15H,13H2,1-2H3,(H,22,25)
InChIKeyZENROVSPHKNQMR-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.30
Rot. Bonds6

About N-(2-benzyl-5-methylpyrazol-3-yl)-2-(3-chlorophenoxy)propanamide

N-(2-benzyl-5-methylpyrazol-3-yl)-2-(3-chlorophenoxy)propanamide (PubChem CID 45154155) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)-2-(3-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)-2-(3-chlorophenoxy)propanamide
PubChem CID45154155
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)-2-(3-chlorophenoxy)propanamide
SMILESCc1cc(NC(=O)C(C)Oc2cccc(Cl)c2)n(Cc2ccccc2)n1
InChIInChI=1S/C20H20ClN3O2/c1-14-11-19(24(23-14)13-16-7-4-3-5-8-16)22-20(25)15(2)26-18-10-6-9-17(21)12-18/h3-12,15H,13H2,1-2H3,(H,22,25)
InChIKeyZENROVSPHKNQMR-UHFFFAOYSA-N
XLogP4.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-benzyl-5-methylpyrazol-3-yl)-2-(3-chlorophenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide
CID 30804831
N-(2-benzyl-5-methylpyrazol-3-yl)-2-hydroxy-2-phenylacetamide
CID 111432479
(2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 35576672
N-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide
CID 45155186
(2R)-N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-chloropyrazol-1-yl)-2-methylpropanamide
CID 39854346
(2R)-2-(3-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 2169959
(2R)-N-(2,5-dimethylpyrazol-3-yl)-2-(3-methylphenoxy)propanamide
CID 51937121
2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 51121821
(2R)-2-(3-chlorophenoxy)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 100585169
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 55686272
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
methyl 4-[2-(3-chlorophenoxy)propanoylamino]-1,3-dimethylpyrazole-5-carboxylate
CID 110280784

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-2-(3-chlorophenoxy)propanamide?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-2-(3-chlorophenoxy)propanamide (CID 45154155) is N-(2-benzyl-5-methylpyrazol-3-yl)-2-(3-chlorophenoxy)propanamide.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)-2-(3-chlorophenoxy)propanamide?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)-2-(3-chlorophenoxy)propanamide is Cc1cc(NC(=O)C(C)Oc2cccc(Cl)c2)n(Cc2ccccc2)n1.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)-2-(3-chlorophenoxy)propanamide?
The InChIKey is ZENROVSPHKNQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-14-11-19(24(23-14)13-16-7-4-3-5-8-16)22-20(25)15(2)26-18-10-6-9-17(21)12-18/h3-12,15H,13H2,1-2H3,(H,22,25).
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)-2-(3-chlorophenoxy)propanamide?
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(3-chlorophenoxy)propanamide has a molecular weight of 369.85 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-methylpyrazol-3-yl)-2-(3-chlorophenoxy)propanamide is sourced from PubChem (CID 45154155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).